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54113-95-0

54113-95-0 structural image
Product Name: 15-HYDROXYDEHYDROABIETICACID
Formula: C20H28O3
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07

Environment
GHS09
GHS Hazard Statements H302:Acute toxicity,oral
H410:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P273:Avoid release to the environment.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 316.4 g/mol
XLogP3 4.2
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 316.20384475 g/mol
Monoisotopic Mass 316.20384475 g/mol
Topological Polar Surface Area 57.5 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 485
Isotope Atom Count 0
Defined Atom Stereocenter Count 3
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

15-Hydroxydehydroabietic acid is a natural product found in Podocarpus fasciculus, Coleus harmandii, and other organisms with data available.